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Titolo:
Monte Carlo simulations of ionic adsorption isotherms at single-crystal electrodes
Autore:
Koper, MTM;
Indirizzi:
Eindhoven Univ Technol, Inorgan Chem & Catalysis Lab, NL-5600 MB Eindhoven, Eindhoven Univ Technol Eindhoven Netherlands NL-5600 MB 00 MB Eindhoven,
Titolo Testata:
ELECTROCHIMICA ACTA
fascicolo: 6-7, volume: 44, anno: 1998,
pagine: 1207 - 1212
SICI:
0013-4686(1998)44:6-7<1207:MCSOIA>2.0.ZU;2-N
Fonte:
ISI
Lingua:
ENG
Soggetto:
DEFINED SOLID-SURFACES; BROMIDE ADSORPTION; 2ND-HARMONIC GENERATION; PHASE-TRANSITIONS; AU(111) ELECTRODE; 110 FACE; SILVER; STM;
Keywords:
Monte Carlo simulations; single crystal electrodes; ionic adsorption;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
23
Recensione:
Indirizzi per estratti:
Indirizzo: Koper, MTM Eindhoven Univ Technol, Inorgan Chem & Catalysis Lab, NL-5600 MB Eindhoven, Eindhoven Univ Technol Eindhoven Netherlands NL-5600 MB oven,
Citazione:
M.T.M. Koper, "Monte Carlo simulations of ionic adsorption isotherms at single-crystal electrodes", ELECTR ACT, 44(6-7), 1998, pp. 1207-1212

Abstract

A lattice-gas model is considered for ionic adsorption at single-crystal electrodes, the statistical mechanics of which is solved by means of Monte Carlo simulations. The model assumes a short-range nearest-neighbor repulsion and a long-range Coulomb repulsion between adsorbed adions. By fitting the model isotherm to the experimental isotherm for bromide adsorption on Ag(100), which is lattice-gas-like, some conclusions can be drawn regarding the relative importance of these two interaction channels. Various ordered adlayers appearing through second-order order-disorder transitions are found on (100) and (111) surfaces. The inclusion of a simple model for mutual depolarization of the adions leads to first-order phase transitions in the isotherms. Finally some simulations on a uniaxially corrugated (110) surface are considered and compared to experimental results of halide adsorption on Ag(110). (C) 1998 Elsevier Science Ltd. All rights reserved.

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Documento generato il 02/04/20 alle ore 12:43:33